-
5
-
-
73649194755
-
-
G. N. Ramachandran, C. Ramakrishnan, and V. Sasisekharan, J. Mol. Biol., 7, 95 (1963).
-
(1963)
J. Mol. Biol.
, vol.7
, pp. 95
-
-
Ramachandran, G.N.1
Ramakrishnan, C.2
Sasisekharan, V.3
-
8
-
-
0026410969
-
-
D. S. Wishart, B. D. Sykes, and F. M. Richards, J. Mol. Biol., 222, 311 (1991).
-
(1991)
J. Mol. Biol.
, vol.222
, pp. 311
-
-
Wishart, D.S.1
Sykes, B.D.2
Richards, F.M.3
-
9
-
-
0001292644
-
-
(a) D. Hnyk, E. Vajda, M. Bühl, and P. v. R. Schleyer, Inorg. Chem., 31, 2464 (1992);
-
(1992)
Inorg. Chem.
, vol.31
, pp. 2464
-
-
Hnyk, D.1
Vajda, E.2
Bühl, M.3
Schleyer, P.V.R.4
-
12
-
-
0000356912
-
-
(d) A. M. Mebel, O. P. Charkin, and P. v. R. Schleyer, Inorg. Chem., 32, 469 (1993);
-
(1993)
Inorg. Chem.
, vol.32
, pp. 469
-
-
Mebel, A.M.1
Charkin, O.P.2
Schleyer, P.V.R.3
-
13
-
-
0027661418
-
-
(e) D. D. Laws, A. C. de Dios, and E. Oldfield, J. Biomol. NMR, 3, 607 (1993);
-
(1993)
J. Biomol. NMR
, vol.3
, pp. 607
-
-
Laws, D.D.1
De Dios, A.C.2
Oldfield, E.3
-
14
-
-
84989005760
-
-
(f) D. Jiao, M. Barfield, and V. J. Hruby, Magn. Reson. Chem., 31, 75 (1993);
-
(1993)
Magn. Reson. Chem.
, vol.31
, pp. 75
-
-
Jiao, D.1
Barfield, M.2
Hruby, V.J.3
-
17
-
-
0000588279
-
-
(i) D. B. Chestnut, B. E. Rusiloski, K. D. Moore, and D. A. Egolf, J. Comput. Chem., 11, 1364 (1993).
-
(1993)
J. Comput. Chem.
, vol.11
, pp. 1364
-
-
Chestnut, D.B.1
Rusiloski, B.E.2
Moore, K.D.3
Egolf, D.A.4
-
22
-
-
0004165142
-
-
Springer-Verlag, Berlin
-
(e) W. Kutzelnigg, U. Fleischer, and M. Schindler, NMR Basic Principles and Progress, Vol. 23, Springer-Verlag, Berlin, 1990.
-
(1990)
NMR Basic Principles and Progress
, vol.23
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
23
-
-
0003409728
-
-
G. C. Levy, Ed., Wiley, New York
-
(a) R. Ditchfield and P. D. Ellis, in Topics in Carbon-13 NMR Spectroscopy, G. C. Levy, Ed., Wiley, New York, 1974;
-
(1974)
Topics in Carbon-13 NMR Spectroscopy
-
-
Ditchfield, R.1
Ellis, P.D.2
-
24
-
-
11744305193
-
-
and references therein
-
(b) P. Pulay, K. Wolinski, and J. F. Hinton, J. Am. Chem. Soc., 112, 8251 (1990), and references therein.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8251
-
-
Pulay, P.1
Wolinski, K.2
Hinton, J.F.3
-
25
-
-
84990669584
-
-
(a) J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, Int. J. Quantum Chem. Quantum Chem. Symp., S26, 879 (1992);
-
(1992)
Int. J. Quantum Chem. Quantum Chem. Symp.
, vol.S26
, pp. 879
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Lauderdale, W.J.4
Bartlett, R.J.5
-
30
-
-
0000814728
-
-
V. G. Malkin, O. L. Malkina, M. E. Casida, and D. R. Salahub, J. Am. Chem. Soc., 116, 5898 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5898
-
-
Malkin, V.G.1
Malkina, O.L.2
Casida, M.E.3
Salahub, D.R.4
-
31
-
-
0027308278
-
-
A. C. de Dios, J. G. Pearson, and E. Oldfield, Science, 260, 1491 (1993).
-
(1993)
Science
, vol.260
, pp. 1491
-
-
De Dios, A.C.1
Pearson, J.G.2
Oldfield, E.3
-
32
-
-
0001614640
-
-
A. C. de Dios, J. G. Pearson, and E. Oldfield, J. Am. Chem. Soc., 115, 9769 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 9769
-
-
De Dios, A.C.1
Pearson, J.G.2
Oldfield, E.3
-
33
-
-
0000193647
-
-
D. Jiao, M. Barfield, and V. J. Hruby, J. Am. Chem. Soc., 115, 10883 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 10883
-
-
Jiao, D.1
Barfield, M.2
Hruby, V.J.3
-
34
-
-
0000661993
-
-
H. M. Sulzbach, P. v. R. Schleyer, and H. F. Schaefer, J. Am. Chem. Soc., 116, 3967 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 3967
-
-
Sulzbach, H.M.1
Schleyer, P.V.R.2
Schaefer, H.F.3
-
35
-
-
0000635363
-
-
For a more detailed discussion of rovibrational effects on the chemical shielding see ref. 11c and also C. J. Jameson, Chem. Rev., 91, 1375 (1991).
-
(1991)
Chem. Rev.
, vol.91
, pp. 1375
-
-
Jameson, C.J.1
-
36
-
-
0001372772
-
-
H. M. Sulzbach, P. v. R. Schleyer, and H. F. Schaefer, J. Am. Chem. Soc., 117, 2632 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 2632
-
-
Sulzbach, H.M.1
Schleyer, P.V.R.2
Schaefer, H.F.3
-
38
-
-
0028675648
-
-
H. Shao, X. Jiang, P. Gantzel, and M. Goodman, Chem. Biol., 1, 231 (1994).
-
(1994)
Chem. Biol.
, vol.1
, pp. 231
-
-
Shao, H.1
Jiang, X.2
Gantzel, P.3
Goodman, M.4
-
39
-
-
5244228724
-
-
T. Head-Gordon, M. Head-Gordon, M. J. Frisch, C. L. Brooks, and J. A. Pople, J. Am. Chem. Soc., 113, 5989 (1991).
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 5989
-
-
Head-Gordon, T.1
Head-Gordon, M.2
Frisch, M.J.3
Brooks, C.L.4
Pople, J.A.5
-
40
-
-
5244290823
-
-
G. M. Wright, R. J. Simmonds, and D. E. Parry, J. Comput. Chem., 9, 601 (1988).
-
(1988)
J. Comput. Chem.
, vol.9
, pp. 601
-
-
Wright, G.M.1
Simmonds, R.J.2
Parry, D.E.3
-
44
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. DeFrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94, Revision C.3, Gaussian, Inc., Pittsburgh, PA, 1994.
-
(1994)
Gaussian 94, Revision C.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
DeFrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
45
-
-
84873055189
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, J. A. Pople, and P. v. R. Schleyer, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Pople, J.A.3
Schleyer, P.V.R.4
-
48
-
-
0003622715
-
-
P. Politzer and J. Seminario, Eds., Elsevier, Amsterdam
-
(a) V. G. Malkin, O. Malkina, D. R. Salahub, and L. Erickson, in Density Functional Theory, a Tool for Chemistry, P. Politzer and J. Seminario, Eds., Elsevier, Amsterdam, 1995;
-
(1995)
Density Functional Theory, a Tool for Chemistry
-
-
Malkin, V.G.1
Malkina, O.2
Salahub, D.R.3
Erickson, L.4
-
49
-
-
0042056415
-
-
(b) T. B. Woolf, V. G. Malkin, O. L. Malkina, D. R. Salahub, and B. Roux, Chem. Phys. Lett., 239, 186 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.239
, pp. 186
-
-
Woolf, T.B.1
Malkin, V.G.2
Malkina, O.L.3
Salahub, D.R.4
Roux, B.5
-
53
-
-
36449000071
-
-
V. Barone, C. Adamo, and F. Lelj, J. Chem. Phys., 102, 364 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 364
-
-
Barone, V.1
Adamo, C.2
Lelj, F.3
-
54
-
-
5244375402
-
-
SAS Institute Inc., Gary, NC. This program was employed for the statistical analysis
-
JMP-in, SAS Institute Inc., Gary, NC. This program was employed for the statistical analysis, 1989.
-
(1989)
JMP-in
-
-
-
55
-
-
0028891277
-
-
and references therein
-
J. G. Pearson, J.-F. Wang, J. L. Markley, H.-B. Le, and E. Oldfield, J. Am. Chem. Soc., 117, 8823 (1995) and references therein.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 8823
-
-
Pearson, J.G.1
Wang, J.-F.2
Markley, J.L.3
Le, H.-B.4
Oldfield, E.5
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